#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8m s THR 2 N 0.00 2.36 -0.04 1.12 2.01 -1.26 -5.03 115.64 114.80 1y8m s THR 2 Ca 0.00 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 1y8m s THR 2 Cb 0.00 -2.59 0.09 0.00 0.01 0.00 0.00 72.50 70.02 1y8m s THR 2 CO 0.00 -0.12 0.80 -0.75 -0.69 0.00 0.00 174.62 173.87 1y8m s LYS 3 N -4.18 0.91 -0.34 4.92 2.20 -1.26 -5.09 119.74 116.91 1y8m s LYS 3 Ca 0.71 -0.01 -0.31 0.00 -0.36 0.00 0.00 55.97 56.00 1y8m s LYS 3 Cb -0.26 0.42 -0.09 0.00 -1.51 0.00 0.00 37.83 36.39 1y8m s LYS 3 CO 0.49 -0.33 2.25 0.28 -0.36 0.00 0.00 175.35 177.68 1y8m n VAL 4 N 0.41 0.21 0.00 4.02 0.31 -1.26 -4.66 118.33 117.35 1y8m n VAL 4 Ca -0.14 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1y8m n VAL 4 Cb 0.60 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1y8m n VAL 4 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1y8m n ASP 5 N 11.42 0.00 0.00 4.52 5.75 -1.26 -4.95 116.55 132.03 1y8m n ASP 5 Ca 0.37 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 55.20 1y8m n ASP 5 Cb 0.35 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.76 1y8m n ASP 5 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1y8m n PHE 6 N 0.00 0.00 -1.60 2.11 3.72 -1.26 -4.97 117.46 115.46 1y8m n PHE 6 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1y8m n PHE 6 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1y8m n PHE 6 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1y8m n TRP 7 N -0.76 -4.16 -0.24 1.38 8.01 -1.26 -4.88 117.44 115.53 1y8m n TRP 7 Ca 0.08 2.24 -0.22 0.00 -1.31 0.00 0.00 57.50 58.29 1y8m n TRP 7 Cb 0.04 -3.43 0.22 0.00 -2.01 0.00 0.00 31.31 26.12 1y8m n TRP 7 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 1y8m n PRO 8 N -2.17 -3.64 -3.42 -0.99 -0.04 -1.26 -5.02 135.00 118.45 1y8m n PRO 8 Ca 0.00 -1.07 -0.19 0.00 -0.04 0.00 0.00 63.50 62.20 1y8m n PRO 8 Cb 0.34 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1y8m n PRO 8 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1y8m s THR 9 N -1.88 3.79 0.28 0.52 -4.23 -1.26 -5.01 115.64 107.85 1y8m s THR 9 Ca 0.49 -1.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.00 1y8m s THR 9 Cb -0.09 -3.30 0.03 0.00 1.34 0.00 0.00 72.50 70.48 1y8m s THR 9 CO 0.41 -0.13 1.68 0.25 -0.54 0.00 0.00 174.62 176.29 1y8m h LEU 10 N 0.89 0.36 -1.81 4.79 5.85 -1.98 -2.32 115.31 121.10 1y8m h LEU 10 Ca -0.44 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 1y8m h LEU 10 Cb 1.26 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1y8m h LEU 10 CO 0.52 0.72 -0.05 0.50 -0.34 0.00 0.00 178.44 179.79 1y8m h LYS 11 N 0.30 0.06 -0.12 1.25 3.64 -2.03 -0.47 116.57 119.19 1y8m h LYS 11 Ca 0.03 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1y8m h LYS 11 Cb 0.81 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1y8m h LYS 11 CO 0.06 0.11 0.15 -0.44 -2.27 0.00 0.00 179.45 177.07 1y8m h ASP 12 N 0.06 0.00 0.26 4.20 3.32 -1.81 0.09 116.42 122.55 1y8m h ASP 12 Ca 0.01 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1y8m h ASP 12 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1y8m h ASP 12 CO 0.01 0.00 -0.13 0.00 -1.72 0.00 0.00 179.24 177.40 1y8m h ALA 13 N 1.82 1.44 -0.04 3.45 0.00 -1.20 -2.65 119.26 122.09 1y8m h ALA 13 Ca 0.06 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1y8m h ALA 13 Cb 0.35 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1y8m h ALA 13 CO -0.00 0.16 -0.69 1.88 0.00 0.00 0.00 179.25 180.60 1y8m h TYR 14 N 0.00 0.76 -0.71 0.00 -1.99 -1.12 -3.42 116.97 110.49 1y8m h TYR 14 Ca -0.00 -0.39 -0.71 0.00 2.00 0.00 0.00 58.73 59.63 1y8m h TYR 14 Cb 0.29 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 1y8m h TYR 14 CO 0.00 1.20 1.37 0.39 -0.00 0.00 0.00 178.16 181.12 1y8m n GLU 15 N -4.12 0.69 -1.93 4.88 1.02 -1.00 -4.86 120.64 115.32 1y8m n GLU 15 Ca -0.10 0.19 -0.39 0.00 -0.02 0.00 0.00 57.16 56.84 1y8m n GLU 15 Cb 0.71 -2.10 0.01 0.00 -0.02 0.00 0.00 31.44 30.03 1y8m n GLU 15 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1y8m s PRO 16 N 6.05 3.68 0.00 3.49 0.05 -1.26 -4.90 135.00 142.11 1y8m s PRO 16 Ca 1.13 2.22 0.00 0.00 0.05 0.00 0.00 61.00 64.40 1y8m s PRO 16 Cb -1.10 -2.58 0.00 0.00 0.05 0.00 0.00 34.50 30.87 1y8m s PRO 16 CO 0.56 -0.75 0.00 1.28 0.05 0.00 0.00 177.00 178.14 1y8m n LEU 17 N -0.28 0.00 -4.05 -3.56 4.77 -1.26 -5.07 117.00 107.54 1y8m n LEU 17 Ca 0.06 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 1y8m n LEU 17 Cb 0.44 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1y8m n LEU 17 CO 0.55 -0.01 -0.38 -0.47 -1.33 0.00 0.00 177.39 175.75 1y8m s TYR 18 N 0.00 0.55 0.18 -1.77 5.04 -1.26 -5.05 117.35 115.04 1y8m s TYR 18 Ca 0.00 -0.63 -0.13 0.00 -2.44 0.00 0.00 57.07 53.87 1y8m s TYR 18 Cb 0.00 -0.35 0.11 0.00 0.35 0.00 0.00 41.96 42.07 1y8m s TYR 18 CO 0.00 -0.16 1.82 -1.00 -1.34 0.00 0.00 175.55 174.87 1y8m h PRO 19 N 4.18 0.65 -0.17 4.97 0.13 -1.99 -1.28 132.00 138.49 1y8m h PRO 19 Ca -0.34 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 1y8m h PRO 19 Cb 1.19 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1y8m h PRO 19 CO 0.47 0.43 -0.02 1.96 -0.23 0.00 0.00 178.00 180.61 1y8m h GLN 20 N 0.67 0.32 -0.17 0.86 1.08 -1.97 0.14 115.11 116.03 1y8m h GLN 20 Ca 0.22 -0.11 0.04 0.00 -1.45 0.00 0.00 58.65 57.34 1y8m h GLN 20 Cb 0.00 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 1y8m h GLN 20 CO -0.09 0.56 -0.05 1.96 -0.95 0.00 0.00 178.83 180.26 1y8m h GLN 21 N 0.04 -0.01 -0.68 1.46 1.08 -1.92 0.62 115.11 115.70 1y8m h GLN 21 Ca 0.05 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1y8m h GLN 21 Cb 0.43 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 1y8m h GLN 21 CO 0.01 -0.01 0.12 1.25 -0.95 0.00 0.00 178.83 179.25 1y8m h LEU 22 N -0.01 1.07 -0.96 1.46 5.85 -1.20 -2.20 115.31 119.31 1y8m h LEU 22 Ca 0.09 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 1y8m h LEU 22 Cb 0.15 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1y8m h LEU 22 CO -0.19 1.05 -0.50 -0.08 -0.34 0.00 0.00 178.44 178.38 1y8m h GLU 23 N 1.05 0.00 -0.05 1.25 4.81 -0.32 -2.87 114.58 118.44 1y8m h GLU 23 Ca 0.21 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1y8m h GLU 23 Cb 0.43 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1y8m h GLU 23 CO 0.01 0.50 -0.01 0.82 -0.73 0.00 0.00 179.01 179.61 1y8m h ILE 24 N 0.00 1.27 -0.13 2.32 2.04 0.69 -0.88 117.51 122.82 1y8m h ILE 24 Ca -0.01 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.05 1y8m h ILE 24 Cb 0.92 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1y8m h ILE 24 CO 0.07 0.23 0.11 -0.07 0.00 0.00 0.00 178.15 178.48 1y8m h LEU 25 N -0.22 0.00 -0.06 1.44 3.38 -1.33 -0.56 115.31 117.95 1y8m h LEU 25 Ca 0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 1y8m h LEU 25 Cb 0.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1y8m h LEU 25 CO 0.00 0.00 -1.05 -0.09 0.09 0.00 0.00 178.44 177.39 1y8m h ARG 26 N 0.00 0.43 -0.64 1.13 2.43 -1.23 -2.66 114.38 113.83 1y8m h ARG 26 Ca 0.06 -0.52 0.06 0.00 -0.81 0.00 0.00 59.98 58.77 1y8m h ARG 26 Cb 0.27 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 1y8m h ARG 26 CO -0.00 1.18 0.35 0.37 -1.51 0.00 0.00 179.97 180.36 1y8m h GLN 27 N 0.21 0.63 -0.26 0.20 4.15 0.32 0.42 115.11 120.79 1y8m h GLN 27 Ca -0.11 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.17 1y8m h GLN 27 Cb 1.71 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 29.25 1y8m h GLN 27 CO 0.18 0.42 -0.25 0.37 -1.93 0.00 0.00 178.83 177.62 1y8m h GLN 28 N 0.65 0.50 0.05 1.69 4.15 -1.45 0.26 115.11 120.96 1y8m h GLN 28 Ca 0.29 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1y8m h GLN 28 Cb 0.18 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1y8m h GLN 28 CO -0.18 0.72 -0.02 0.28 -1.93 0.00 0.00 178.83 177.70 1y8m h VAL 29 N 0.45 1.30 -0.37 2.39 2.07 -0.80 -2.58 116.25 118.70 1y8m h VAL 29 Ca 0.06 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 1y8m h VAL 29 Cb 0.68 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1y8m h VAL 29 CO 0.05 0.31 0.12 0.58 0.02 0.00 0.00 177.57 178.65 1y8m h VAL 30 N -0.64 1.21 -0.20 2.57 2.07 -0.16 0.12 116.25 121.22 1y8m h VAL 30 Ca -0.01 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 66.88 1y8m h VAL 30 Cb 0.56 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1y8m h VAL 30 CO 0.01 0.24 0.16 0.28 0.02 0.00 0.00 177.57 178.28 1y8m h SER 31 N 0.45 0.00 0.80 0.57 0.02 -0.54 0.14 113.55 114.98 1y8m h SER 31 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1y8m h SER 31 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1y8m h SER 31 CO -0.00 0.00 -0.21 -0.62 -1.14 0.00 0.00 176.83 174.86 1y8m n GLU 32 N -4.27 0.00 0.00 3.45 1.02 -0.88 -4.86 120.64 115.10 1y8m n GLU 32 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1y8m n GLU 32 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1y8m n GLU 32 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y8m n GLY 33 N 1.50 1.19 7.00 0.62 0.00 0.49 -4.28 105.19 111.71 1y8m n GLY 33 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1y8m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8m n GLY 34 N 0.00 3.19 0.28 -0.02 0.00 0.35 -2.83 105.19 106.16 1y8m n GLY 34 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1y8m n GLY 34 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1y8m h PRO 35 N 0.00 0.76 0.00 1.61 0.11 -1.95 0.98 132.00 133.50 1y8m h PRO 35 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1y8m h PRO 35 Cb 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1y8m h PRO 35 CO 0.00 0.50 0.00 0.25 -0.21 0.00 0.00 178.00 178.54 1y8m n THR 36 N -4.73 0.00 -1.22 -1.15 -2.24 -1.13 -4.79 114.28 99.03 1y8m n THR 36 Ca 0.09 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.56 1y8m n THR 36 Cb 0.16 -0.41 0.10 0.00 -2.10 0.00 0.00 70.33 68.08 1y8m n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y8m s ALA 37 N -2.00 2.13 0.66 6.98 0.00 0.34 -4.78 121.76 125.08 1y8m s ALA 37 Ca 0.07 0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.24 1y8m s ALA 37 Cb 0.03 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 1y8m s ALA 37 CO 0.05 -1.91 1.08 0.25 0.00 0.00 0.00 175.76 175.24 1y8m n THR 38 N -3.50 3.91 -0.30 0.00 -2.24 -1.26 -4.84 114.28 106.05 1y8m n THR 38 Ca 0.10 -0.46 -0.03 0.00 -2.27 0.00 0.00 64.05 61.39 1y8m n THR 38 Cb 0.53 -1.25 0.08 0.00 -2.10 0.00 0.00 70.33 67.59 1y8m n THR 38 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1y8m h ILE 39 N 0.25 1.19 -0.25 2.28 2.04 -1.94 -0.89 117.51 120.19 1y8m h ILE 39 Ca -0.49 -0.38 0.07 0.00 1.00 0.00 0.00 64.86 65.07 1y8m h ILE 39 Cb 1.35 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1y8m h ILE 39 CO 0.50 0.20 0.21 -0.61 0.00 0.00 0.00 178.15 178.45 1y8m h GLN 40 N 1.10 0.00 -0.09 2.37 5.75 -2.00 -0.16 115.11 122.08 1y8m h GLN 40 Ca 0.31 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.76 1y8m h GLN 40 Cb -0.10 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.45 1y8m h GLN 40 CO -0.08 0.00 -0.14 0.66 -2.65 0.00 0.00 178.83 176.63 1y8m h SER 41 N 0.00 0.28 -0.20 -0.69 4.64 -1.50 -3.09 113.55 112.99 1y8m h SER 41 Ca 0.12 -0.53 -0.09 0.00 -0.47 0.00 0.00 61.79 60.82 1y8m h SER 41 Cb 0.54 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1y8m h SER 41 CO -0.00 0.75 -0.17 0.03 -0.87 0.00 0.00 176.83 176.57 1y8m h ARG 42 N -0.18 0.63 -0.09 4.77 3.08 -1.16 -2.61 114.38 118.81 1y8m h ARG 42 Ca 0.01 -0.22 0.04 0.00 0.07 0.00 0.00 59.98 59.89 1y8m h ARG 42 Cb 0.69 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 1y8m h ARG 42 CO 0.03 0.77 -0.26 0.35 -1.07 0.00 0.00 179.97 179.79 1y8m h PHE 43 N 0.56 -0.70 -0.12 3.04 3.04 -1.02 -1.05 116.94 120.69 1y8m h PHE 43 Ca 0.09 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.98 1y8m h PHE 43 Cb 0.61 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.43 1y8m h PHE 43 CO 0.03 -0.34 -0.33 -2.95 -2.02 0.00 0.00 178.31 172.69 1y8m h ASN 44 N -0.35 0.24 0.11 0.41 7.08 -1.49 -2.32 115.58 119.27 1y8m h ASN 44 Ca 0.09 -0.09 -0.02 0.00 -3.08 0.00 0.00 56.30 53.21 1y8m h ASN 44 Cb 0.48 -0.07 -0.00 0.00 -2.08 0.00 0.00 38.32 36.65 1y8m h ASN 44 CO -0.29 0.57 -0.08 0.22 -2.08 0.00 0.00 177.43 175.76 1y8m h TYR 45 N 0.21 0.00 0.02 4.14 3.20 -0.87 -1.54 116.97 122.14 1y8m h TYR 45 Ca 0.03 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.68 1y8m h TYR 45 Cb 0.69 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1y8m h TYR 45 CO 0.01 0.08 -1.00 0.00 -1.64 0.00 0.00 178.16 175.61 1y8m h ALA 46 N 1.92 0.36 -0.27 1.82 0.00 -0.67 -3.09 119.26 119.33 1y8m h ALA 46 Ca -0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 54.03 1y8m h ALA 46 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1y8m h ALA 46 CO 0.01 1.15 0.10 2.35 0.00 0.00 0.00 179.25 182.86 1y8m h TRP 47 N 0.02 0.41 -0.62 0.00 2.91 -1.11 -2.56 115.95 115.00 1y8m h TRP 47 Ca -0.03 -0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.86 1y8m h TRP 47 Cb 1.74 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 30.24 1y8m h TRP 47 CO 0.01 0.42 0.01 0.78 -1.03 0.00 0.00 178.44 178.63 1y8m h GLY 48 N 0.28 1.17 1.98 2.65 0.00 -1.57 -2.05 103.07 105.52 1y8m h GLY 48 Ca 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1y8m h GLY 48 CO -0.01 0.79 0.01 1.41 0.00 0.00 0.00 176.54 178.74 1y8m h LEU 49 N 0.99 0.00 -0.17 3.11 3.38 -1.43 -0.12 115.31 121.06 1y8m h LEU 49 Ca 0.18 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 1y8m h LEU 49 Cb 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1y8m h LEU 49 CO 0.03 0.00 -0.86 0.40 0.09 0.00 0.00 178.44 178.10 1y8m h ILE 50 N 0.00 1.55 0.00 1.22 2.04 -0.97 -3.06 117.51 118.30 1y8m h ILE 50 Ca 0.00 -3.00 0.00 0.00 1.00 0.00 0.00 64.86 62.86 1y8m h ILE 50 Cb 0.02 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1y8m h ILE 50 CO -0.00 0.84 0.00 0.29 0.00 0.00 0.00 178.15 179.28 1y8m n LYS 51 N -3.43 0.19 -0.85 2.37 4.76 -0.08 -4.79 118.16 116.35 1y8m n LYS 51 Ca -0.00 0.37 -0.31 0.00 -2.87 0.00 0.00 58.31 55.50 1y8m n LYS 51 Cb 0.84 -1.83 0.16 0.00 -1.84 0.00 0.00 35.03 32.36 1y8m n LYS 51 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1y8m s SER 52 N -4.21 3.08 -0.04 4.39 0.15 -1.09 -4.20 113.70 111.79 1y8m s SER 52 Ca 0.06 1.97 0.08 0.00 0.70 0.00 0.00 55.95 58.76 1y8m s SER 52 Cb 0.10 -2.49 -0.24 0.00 -1.71 0.00 0.00 66.02 61.68 1y8m s SER 52 CO 0.43 -2.96 0.67 0.71 1.20 0.00 0.00 173.24 173.29 1y8m h THR 53 N -1.77 0.89 -4.08 6.45 1.35 -1.89 -3.47 112.91 110.40 1y8m h THR 53 Ca -0.46 -2.70 -0.47 0.00 -0.55 0.00 0.00 66.41 62.23 1y8m h THR 53 Cb 1.27 2.48 0.03 0.00 -1.73 0.00 0.00 68.15 70.20 1y8m h THR 53 CO 0.46 0.60 0.39 1.51 -0.25 0.00 0.00 175.52 178.23 1y8m s ASP 54 N -6.33 6.30 0.33 5.36 1.47 -1.26 -4.93 116.67 117.60 1y8m s ASP 54 Ca -0.07 1.94 0.25 0.00 1.18 0.00 0.00 52.55 55.85 1y8m s ASP 54 Cb 0.08 -2.56 0.60 0.00 -0.34 0.00 0.00 42.92 40.70 1y8m s ASP 54 CO 0.82 -0.81 1.70 1.62 0.68 0.00 0.00 175.17 179.18 1y8m h VAL 55 N 1.52 0.00 -0.02 2.11 3.04 -1.97 -3.28 116.25 117.65 1y8m h VAL 55 Ca -0.49 -0.72 0.01 0.00 -1.01 0.00 0.00 66.70 64.48 1y8m h VAL 55 Cb 1.22 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.21 1y8m h VAL 55 CO 0.59 0.00 -0.01 -1.13 -1.01 0.00 0.00 177.57 176.00 1y8m h ASN 56 N 0.00 -0.05 0.02 3.17 -0.73 -1.97 -0.96 115.58 115.07 1y8m h ASN 56 Ca 0.00 0.01 -0.11 0.00 1.87 0.00 0.00 56.30 58.08 1y8m h ASN 56 Cb 0.85 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.45 1y8m h ASN 56 CO 0.00 -0.02 -0.32 0.44 -0.37 0.00 0.00 177.43 177.16 1y8m h ASP 57 N -0.01 0.45 -0.37 1.15 3.32 -1.83 -2.76 116.42 116.36 1y8m h ASP 57 Ca 0.02 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1y8m h ASP 57 Cb 0.04 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1y8m h ASP 57 CO -0.03 0.75 0.09 -0.33 -1.72 0.00 0.00 179.24 178.00 1y8m h GLU 58 N 0.38 0.67 0.00 3.56 5.08 -1.45 -1.39 114.58 121.43 1y8m h GLU 58 Ca 0.05 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1y8m h GLU 58 Cb 0.75 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1y8m h GLU 58 CO 0.06 0.62 -0.48 0.00 -1.00 0.00 0.00 179.01 178.21 1y8m h ARG 59 N 0.65 0.00 -0.00 2.33 3.08 -0.91 -2.48 114.38 117.04 1y8m h ARG 59 Ca 0.15 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.96 1y8m h ARG 59 Cb 0.27 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.33 1y8m h ARG 59 CO -0.00 0.48 -0.92 1.25 -1.07 0.00 0.00 179.97 179.71 1y8m h LEU 60 N 0.00 0.81 -0.61 3.04 5.85 -1.15 -2.84 115.31 120.41 1y8m h LEU 60 Ca -0.00 -0.74 -0.03 0.00 0.84 0.00 0.00 57.88 57.94 1y8m h LEU 60 Cb 1.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1y8m h LEU 60 CO 0.06 1.45 0.27 1.23 -0.34 0.00 0.00 178.44 181.11 1y8m h GLY 61 N 0.26 0.96 0.98 3.75 0.00 -1.20 -1.18 103.07 106.64 1y8m h GLY 61 Ca -0.11 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1y8m h GLY 61 CO 0.18 0.48 0.12 -2.08 0.00 0.00 0.00 176.54 175.23 1y8m h VAL 62 N 0.85 1.03 -0.70 4.60 2.07 -1.48 0.23 116.25 122.85 1y8m h VAL 62 Ca 0.21 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.67 1y8m h VAL 62 Cb 0.16 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1y8m h VAL 62 CO -0.02 0.04 0.44 0.50 0.02 0.00 0.00 177.57 178.56 1y8m h LYS 63 N 0.24 0.85 -0.02 1.57 3.64 -1.24 0.58 116.57 122.19 1y8m h LYS 63 Ca 0.07 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1y8m h LYS 63 Cb -0.02 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1y8m h LYS 63 CO -0.03 0.56 0.00 0.82 -2.27 0.00 0.00 179.45 178.54 1y8m h ILE 64 N 0.88 1.20 -0.06 2.00 2.04 -0.70 0.58 117.51 123.45 1y8m h ILE 64 Ca 0.28 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1y8m h ILE 64 Cb -0.01 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1y8m h ILE 64 CO -0.10 0.16 -0.13 -0.07 0.00 0.00 0.00 178.15 178.01 1y8m h LEU 65 N -0.20 0.08 0.00 1.44 3.38 -0.16 0.15 115.31 120.00 1y8m h LEU 65 Ca 0.01 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1y8m h LEU 65 Cb 0.25 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1y8m h LEU 65 CO 0.00 0.22 -0.92 0.74 0.09 0.00 0.00 178.44 178.57 1y8m h THR 66 N 0.08 1.29 0.01 0.22 2.02 0.52 -2.28 112.91 114.77 1y8m h THR 66 Ca 0.02 -2.88 -0.15 0.00 0.77 0.00 0.00 66.41 64.16 1y8m h THR 66 Cb 0.29 2.62 0.01 0.00 -1.74 0.00 0.00 68.15 69.34 1y8m h THR 66 CO 0.02 0.74 -0.60 -0.78 0.37 0.00 0.00 175.52 175.26 1y8m h ASP 67 N 0.00 0.51 0.27 4.18 3.58 0.10 -2.79 116.42 122.27 1y8m h ASP 67 Ca -0.04 -0.77 -0.06 0.00 0.42 0.00 0.00 57.03 56.58 1y8m h ASP 67 Cb 1.65 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 1y8m h ASP 67 CO 0.10 1.22 -0.26 0.40 -2.88 0.00 0.00 179.24 177.82 1y8m h ILE 68 N -0.14 1.18 0.37 2.25 2.04 -0.81 0.37 117.51 122.76 1y8m h ILE 68 Ca -0.08 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 1y8m h ILE 68 Cb 1.32 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1y8m h ILE 68 CO 0.12 0.26 -0.18 0.22 0.00 0.00 0.00 178.15 178.57 1y8m h TYR 69 N 0.00 -0.46 0.00 1.37 3.20 -1.34 -2.58 116.97 117.16 1y8m h TYR 69 Ca -0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 1y8m h TYR 69 Cb 0.47 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1y8m h TYR 69 CO 0.00 -0.23 -0.44 0.87 -1.64 0.00 0.00 178.16 176.71 1y8m h LYS 70 N -0.58 0.00 -1.62 1.82 1.57 -1.21 -3.26 116.57 113.29 1y8m h LYS 70 Ca -0.05 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 58.00 1y8m h LYS 70 Cb 0.43 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.46 1y8m h LYS 70 CO 0.08 0.44 0.91 -1.91 -0.57 0.00 0.00 179.45 178.41 1y8m n GLU 71 N -3.43 2.77 0.00 3.15 2.13 0.13 -4.80 120.64 120.58 1y8m n GLU 71 Ca 0.00 -3.48 0.00 0.00 0.66 0.00 0.00 57.16 54.34 1y8m n GLU 71 Cb 0.60 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 30.03 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1y8m n ALA 72 N -0.67 0.00 -1.00 4.31 0.00 -0.99 -4.82 120.51 117.33 1y8m n ALA 72 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1y8m n ALA 72 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1y8m n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1y8m n GLU 73 N 0.00 0.01 0.00 0.00 -0.58 -1.26 -4.07 120.64 114.73 1y8m n GLU 73 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1y8m n GLU 73 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1y8m n GLU 73 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1y8m n SER 74 N -1.80 0.00 0.00 1.62 2.88 -1.26 -3.96 113.62 111.10 1y8m n SER 74 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1y8m n SER 74 Cb 0.00 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 1y8m n SER 74 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1y8m n ARG 75 N 0.00 0.19 0.02 -1.46 3.00 -1.26 -2.54 116.66 114.61 1y8m n ARG 75 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 1y8m n ARG 75 Cb 0.00 -1.27 0.19 0.00 0.00 0.00 0.00 32.46 31.38 1y8m n ARG 75 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1y8m h ARG 76 N 0.00 0.46 -0.40 -0.14 0.11 -1.73 -2.80 114.38 109.89 1y8m h ARG 76 Ca 0.00 -0.19 0.08 0.00 0.10 0.00 0.00 59.98 59.97 1y8m h ARG 76 Cb 0.00 -0.02 -0.08 0.00 1.11 0.00 0.00 29.97 30.99 1y8m h ARG 76 CO 0.00 0.72 -0.10 -0.09 0.10 0.00 0.00 179.97 180.60 1y8m h ARG 77 N 0.40 -0.01 -0.40 0.08 2.43 -1.87 0.31 114.38 115.32 1y8m h ARG 77 Ca 0.05 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 1y8m h ARG 77 Cb 0.74 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1y8m h ARG 77 CO 0.06 -0.00 -0.34 0.93 -1.51 0.00 0.00 179.97 179.11 1y8m h GLU 78 N -0.01 0.92 -0.46 0.20 4.39 -1.80 -3.08 114.58 114.74 1y8m h GLU 78 Ca 0.19 -0.45 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 1y8m h GLU 78 Cb 0.30 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1y8m h GLU 78 CO -0.41 1.11 0.17 0.00 -1.16 0.00 0.00 179.01 178.72 1y8m h LEU 80 N 0.60 0.53 -0.01 0.00 3.38 -0.39 0.88 115.31 120.31 1y8m h LEU 80 Ca 0.15 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1y8m h LEU 80 Cb 0.22 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1y8m h LEU 80 CO -0.01 0.28 -0.02 0.22 0.09 0.00 0.00 178.44 179.00 1y8m h TYR 81 N 0.66 0.05 -0.06 1.13 3.20 -1.40 -2.80 116.97 117.74 1y8m h TYR 81 Ca 0.39 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.17 1y8m h TYR 81 Cb 0.45 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1y8m h TYR 81 CO -0.09 0.56 -0.31 1.88 -1.64 0.00 0.00 178.16 178.55 1y8m h TYR 82 N -0.48 0.13 -0.05 -3.82 0.05 -0.73 -2.38 116.97 109.69 1y8m h TYR 82 Ca 0.00 -0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.67 1y8m h TYR 82 Cb 0.55 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 1y8m h TYR 82 CO 0.11 0.43 -0.36 -0.07 -1.05 0.00 0.00 178.16 177.21 1y8m h LEU 83 N 0.11 0.11 -0.51 3.88 3.38 0.78 0.15 115.31 123.21 1y8m h LEU 83 Ca 0.01 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1y8m h LEU 83 Cb 0.62 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1y8m h LEU 83 CO 0.04 0.47 0.04 0.74 0.09 0.00 0.00 178.44 179.82 1y8m h THR 84 N 0.09 1.26 0.09 0.22 2.02 -1.15 0.72 112.91 116.16 1y8m h THR 84 Ca 0.01 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 1y8m h THR 84 Cb 0.69 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1y8m h THR 84 CO 0.05 0.36 -0.04 0.40 0.37 0.00 0.00 175.52 176.66 1y8m h ILE 85 N 0.74 1.16 -0.09 3.11 2.04 -1.32 -1.16 117.51 121.98 1y8m h ILE 85 Ca 0.15 -1.28 0.02 0.00 1.00 0.00 0.00 64.86 64.75 1y8m h ILE 85 Cb 0.47 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1y8m h ILE 85 CO 0.02 0.30 0.06 1.23 0.00 0.00 0.00 178.15 179.76 1y8m h GLY 86 N -0.75 0.01 1.56 5.37 0.00 -0.99 -1.57 103.07 106.71 1y8m h GLY 86 Ca -0.01 -0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.06 1y8m h GLY 86 CO 0.02 0.00 -1.12 0.00 0.00 0.00 0.00 176.54 175.44 1y8m h TYR 88 N 0.15 0.00 0.00 0.00 3.20 -0.16 0.40 116.97 120.56 1y8m h TYR 88 Ca -0.12 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.71 1y8m h TYR 88 Cb 1.80 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.07 1y8m h TYR 88 CO 0.07 0.00 -0.22 0.87 -1.64 0.00 0.00 178.16 177.23 1y8m h LYS 89 N 0.00 0.00 -0.65 1.82 1.57 -1.53 -2.77 116.57 115.01 1y8m h LYS 89 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1y8m h LYS 89 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1y8m h LYS 89 CO -0.00 0.22 0.00 1.28 -0.57 0.00 0.00 179.45 180.38 1y8m n LEU 90 N -3.23 4.63 -1.70 2.94 4.77 0.09 -4.91 117.00 119.59 1y8m n LEU 90 Ca 0.02 -2.34 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 1y8m n LEU 90 Cb 0.53 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1y8m n LEU 90 CO 0.35 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1y8m n GLY 91 N 1.10 -0.24 2.06 -0.72 0.00 -0.94 -4.68 105.19 101.77 1y8m n GLY 91 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 1y8m n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y8m n GLU 92 N -1.69 1.93 0.13 1.61 1.02 -1.17 -4.66 120.64 117.81 1y8m n GLU 92 Ca 0.00 -1.52 0.01 0.00 -0.02 0.00 0.00 57.16 55.64 1y8m n GLU 92 Cb 0.24 -1.78 0.08 0.00 -0.02 0.00 0.00 31.44 29.96 1y8m n GLU 92 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1y8m n TYR 93 N 1.06 0.10 -0.06 -0.32 4.01 -1.26 0.20 117.16 120.89 1y8m n TYR 93 Ca 0.35 0.05 -0.04 0.00 -0.16 0.00 0.00 57.90 58.10 1y8m n TYR 93 Cb 0.62 -0.16 0.19 0.00 -0.31 0.00 0.00 39.34 39.67 1y8m n TYR 93 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1y8m h SER 94 N 0.00 0.65 0.00 7.72 0.87 -1.96 -0.74 113.55 120.09 1y8m h SER 94 Ca 0.00 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.35 1y8m h SER 94 Cb 1.18 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1y8m h SER 94 CO 0.00 0.77 -0.15 0.24 -0.53 0.00 0.00 176.83 177.16 1y8m h MET 95 N 0.62 0.10 -0.74 2.24 2.86 -0.65 -3.02 114.93 116.33 1y8m h MET 95 Ca 0.11 -0.11 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 1y8m h MET 95 Cb 0.51 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.13 1y8m h MET 95 CO 0.03 0.89 0.37 0.00 1.06 0.00 0.00 176.91 179.26 1y8m h ALA 96 N 0.22 1.04 0.13 6.32 0.00 -1.59 -1.94 119.26 123.44 1y8m h ALA 96 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1y8m h ALA 96 Cb 0.94 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1y8m h ALA 96 CO 0.03 -0.04 -0.13 -0.22 0.00 0.00 0.00 179.25 178.88 1y8m h LYS 97 N 0.62 -0.28 -0.85 0.00 3.64 -1.18 0.22 116.57 118.74 1y8m h LYS 97 Ca 0.37 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1y8m h LYS 97 Cb 0.41 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1y8m h LYS 97 CO -0.28 -0.19 0.51 0.00 -2.27 0.00 0.00 179.45 177.22 1y8m h ARG 98 N -0.29 1.16 -0.01 1.90 3.08 -1.29 -0.26 114.38 118.65 1y8m h ARG 98 Ca 0.01 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1y8m h ARG 98 Cb 0.28 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1y8m h ARG 98 CO -0.04 0.82 -0.10 1.88 -1.07 0.00 0.00 179.97 181.46 1y8m h TYR 99 N 1.17 0.12 -0.52 3.04 0.05 -1.13 -2.82 116.97 116.88 1y8m h TYR 99 Ca 0.30 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 59.01 1y8m h TYR 99 Cb -0.04 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1y8m h TYR 99 CO -0.00 0.79 0.26 -0.24 -1.05 0.00 0.00 178.16 177.92 1y8m h VAL 100 N -0.58 1.17 0.09 -2.88 3.04 -0.53 -1.03 116.25 115.53 1y8m h VAL 100 Ca -0.01 -0.45 -0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1y8m h VAL 100 Cb 0.80 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 1y8m h VAL 100 CO 0.02 0.19 -0.04 0.44 -1.01 0.00 0.00 177.57 177.17 1y8m h ASP 101 N 0.72 -0.11 -0.23 3.17 5.19 -1.07 0.25 116.42 124.34 1y8m h ASP 101 Ca 0.18 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1y8m h ASP 101 Cb 0.05 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 1y8m h ASP 101 CO -0.03 -0.02 0.13 0.74 -3.12 0.00 0.00 179.24 176.94 1y8m h THR 102 N -0.18 1.12 -0.72 0.35 2.02 -1.19 0.75 112.91 115.05 1y8m h THR 102 Ca -0.01 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1y8m h THR 102 Cb 0.15 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1y8m h THR 102 CO 0.02 0.11 0.37 0.25 0.37 0.00 0.00 175.52 176.65 1y8m h LEU 103 N 0.26 0.92 -1.00 2.58 5.85 -1.05 -2.05 115.31 120.83 1y8m h LEU 103 Ca 0.08 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 1y8m h LEU 103 Cb 0.07 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1y8m h LEU 103 CO -0.01 0.77 -0.47 0.15 -0.34 0.00 0.00 178.44 178.54 1y8m h PHE 104 N 1.00 0.00 -0.33 1.25 3.57 -0.23 -3.00 116.94 119.20 1y8m h PHE 104 Ca 0.25 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 1y8m h PHE 104 Cb 0.07 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1y8m h PHE 104 CO 0.00 0.47 0.01 1.49 -2.23 0.00 0.00 178.31 178.06 1y8m h GLU 105 N 0.00 0.58 0.00 1.11 4.57 -0.19 -2.76 114.58 117.89 1y8m h GLU 105 Ca -0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1y8m h GLU 105 Cb 0.89 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1y8m h GLU 105 CO 0.06 0.70 0.00 0.72 -1.18 0.00 0.00 179.01 179.31 1y8m n HIS 106 N -4.54 0.00 -4.84 0.92 8.25 -0.84 -4.88 115.22 109.29 1y8m n HIS 106 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1y8m n HIS 106 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1y8m n HIS 106 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1y8m n GLU 107 N -0.67 0.00 -1.87 -0.41 1.02 -1.04 -4.78 120.64 112.89 1y8m n GLU 107 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1y8m n GLU 107 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1y8m n GLU 107 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1y8m n ARG 108 N -0.27 -1.76 -0.34 3.49 0.63 -1.26 -4.90 116.66 112.26 1y8m n ARG 108 Ca 0.00 0.59 -0.06 0.00 -0.92 0.00 0.00 57.85 57.46 1y8m n ARG 108 Cb 0.00 -4.98 0.04 0.00 0.45 0.00 0.00 32.46 27.97 1y8m n ARG 108 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1y8m n ASN 109 N -0.99 -0.29 -3.92 6.15 0.23 -1.26 -5.10 115.26 110.08 1y8m n ASN 109 Ca -0.12 -0.98 -0.09 0.00 -0.53 0.00 0.00 54.58 52.86 1y8m n ASN 109 Cb 0.48 -0.20 -0.09 0.00 -2.08 0.00 0.00 39.78 37.89 1y8m n ASN 109 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1y8m s ASN 110 N -2.00 0.19 0.65 0.53 0.01 -1.26 -5.01 114.94 108.05 1y8m s ASN 110 Ca 0.15 -0.62 0.22 0.00 -0.71 0.00 0.00 52.86 51.90 1y8m s ASN 110 Cb -0.01 0.27 1.17 0.00 0.41 0.00 0.00 41.25 43.08 1y8m s ASN 110 CO 0.11 -0.60 1.65 0.11 -1.51 0.00 0.00 177.10 176.86 1y8m h LYS 111 N 3.27 0.00 0.00 -0.60 1.57 -1.99 0.63 116.57 119.45 1y8m h LYS 111 Ca -0.33 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.28 1y8m h LYS 111 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 1y8m h LYS 111 CO 0.54 0.00 -0.79 1.96 -0.57 0.00 0.00 179.45 180.59 1y8m h GLN 112 N 0.00 0.00 0.01 3.15 4.20 -1.97 -2.54 115.11 117.96 1y8m h GLN 112 Ca 0.05 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1y8m h GLN 112 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1y8m h GLN 112 CO -0.00 0.79 -0.01 0.28 -0.67 0.00 0.00 178.83 179.22 1y8m h VAL 113 N 0.00 1.53 -0.66 -0.54 2.07 -0.14 0.49 116.25 119.00 1y8m h VAL 113 Ca -0.01 -1.74 0.09 0.00 0.82 0.00 0.00 66.70 65.86 1y8m h VAL 113 Cb 1.49 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 33.91 1y8m h VAL 113 CO 0.10 0.44 0.44 1.23 0.02 0.00 0.00 177.57 179.80 1y8m h GLY 114 N -0.78 0.73 0.48 2.17 0.00 -1.54 0.26 103.07 104.39 1y8m h GLY 114 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1y8m h GLY 114 CO 0.00 0.13 -0.32 0.00 0.00 0.00 0.00 176.54 176.35 1y8m h ALA 115 N 1.66 0.03 -0.44 3.60 0.00 -1.43 -2.57 119.26 120.12 1y8m h ALA 115 Ca 0.30 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1y8m h ALA 115 Cb 0.47 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1y8m h ALA 115 CO -0.09 0.14 0.25 1.25 0.00 0.00 0.00 179.25 180.79 1y8m h LEU 116 N -0.47 0.39 -2.10 0.00 5.85 -0.17 0.79 115.31 119.60 1y8m h LEU 116 Ca -0.04 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1y8m h LEU 116 Cb 1.10 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1y8m h LEU 116 CO 0.06 0.28 0.14 0.50 -0.34 0.00 0.00 178.44 179.08 1y8m h LYS 117 N 0.50 0.00 0.00 1.25 3.64 -0.57 -0.02 116.57 121.37 1y8m h LYS 117 Ca 0.18 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1y8m h LYS 117 Cb 0.04 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1y8m h LYS 117 CO -0.10 0.00 -0.29 0.77 -2.27 0.00 0.00 179.45 177.56 1y8m h SER 118 N 0.00 0.00 -0.19 4.20 0.02 -0.40 0.24 113.55 117.41 1y8m h SER 118 Ca 0.08 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.88 1y8m h SER 118 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1y8m h SER 118 CO -0.00 0.29 -0.46 0.24 -1.14 0.00 0.00 176.83 175.76 1y8m h MET 119 N 0.00 0.65 0.17 3.45 2.86 -0.81 -0.65 114.93 120.60 1y8m h MET 119 Ca -0.00 -0.44 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 1y8m h MET 119 Cb 0.55 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1y8m h MET 119 CO 0.04 1.06 -0.08 0.28 1.06 0.00 0.00 176.91 179.27 1y8m h VAL 120 N 0.34 0.93 -0.15 -2.22 2.07 -1.35 -0.98 116.25 114.89 1y8m h VAL 120 Ca -0.00 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 1y8m h VAL 120 Cb 1.07 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1y8m h VAL 120 CO 0.10 0.11 -0.31 -0.33 0.02 0.00 0.00 177.57 177.16 1y8m h GLU 121 N -0.45 0.30 -0.26 1.57 4.39 -1.01 -0.86 114.58 118.26 1y8m h GLU 121 Ca -0.02 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 59.39 1y8m h GLU 121 Cb 0.35 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1y8m h GLU 121 CO 0.04 0.59 -0.50 -0.44 -1.16 0.00 0.00 179.01 177.53 1y8m h ASP 122 N 0.26 0.80 0.39 1.42 3.32 -1.02 -1.82 116.42 119.78 1y8m h ASP 122 Ca 0.04 -0.41 -0.26 0.00 0.02 0.00 0.00 57.03 56.41 1y8m h ASP 122 Cb 0.68 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.01 1y8m h ASP 122 CO 0.05 1.16 -1.12 0.50 -1.72 0.00 0.00 179.24 178.11 1y8m h LYS 123 N 0.57 0.41 0.00 3.56 3.11 -0.99 -2.97 116.57 120.26 1y8m h LYS 123 Ca 0.02 -0.54 -0.01 0.00 -2.81 0.00 0.00 60.65 57.31 1y8m h LYS 123 Cb 1.07 0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 32.48 1y8m h LYS 123 CO 0.11 1.21 -0.05 0.82 -2.81 0.00 0.00 179.45 178.73 1y8m h ILE 124 N 0.18 0.12 -0.11 2.00 2.04 -1.16 -2.34 117.51 118.24 1y8m h ILE 124 Ca -0.13 -0.69 -0.18 0.00 1.00 0.00 0.00 64.86 64.87 1y8m h ILE 124 Cb 1.80 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 39.49 1y8m h ILE 124 CO 0.20 0.05 -0.67 1.56 0.00 0.00 0.00 178.15 179.28 1y8m h GLN 125 N 0.00 0.46 0.00 2.37 4.20 -1.21 -2.87 115.11 118.05 1y8m h GLN 125 Ca -0.00 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 1y8m h GLN 125 Cb 0.61 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1y8m h GLN 125 CO 0.01 0.97 -0.23 0.87 -0.67 0.00 0.00 178.83 179.77 1y8m h LYS 126 N 0.33 0.00 -0.41 1.46 1.57 -1.27 -2.12 116.57 116.13 1y8m h LYS 126 Ca -0.02 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 1y8m h LYS 126 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 1y8m h LYS 126 CO 0.12 0.23 0.67 0.93 -0.57 0.00 0.00 179.45 180.83 1y8m h GLU 127 N 0.00 0.00 0.00 3.15 5.08 -1.41 -3.40 114.58 118.00 1y8m h GLU 127 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1y8m h GLU 127 Cb 0.48 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.76 1y8m h GLU 127 CO 0.03 0.00 0.03 2.41 -1.00 0.00 0.00 179.01 180.48 1y8m n THR 128 N -3.25 0.00 -3.41 1.13 -1.04 -0.80 -4.98 114.28 101.93 1y8m n THR 128 Ca 0.08 -0.10 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 1y8m n THR 128 Cb 0.82 -1.29 -0.09 0.00 -1.82 0.00 0.00 70.33 67.95 1y8m n THR 128 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1y8m s LEU 129 N 0.00 4.33 0.18 -4.42 2.01 -1.26 -4.94 118.68 114.57 1y8m s LEU 129 Ca 0.11 -0.11 0.03 0.00 0.01 0.00 0.00 54.13 54.17 1y8m s LEU 129 Cb -0.01 -2.35 0.05 0.00 0.01 0.00 0.00 46.19 43.89 1y8m s LEU 129 CO 0.08 -0.29 1.41 0.07 1.01 0.00 0.00 176.35 178.64 1y8m h LYS 130 N 8.40 0.20 -2.63 1.70 2.10 -1.94 -3.48 116.57 120.92 1y8m h LYS 130 Ca -0.30 -0.20 0.12 0.00 -2.00 0.00 0.00 60.65 58.27 1y8m h LYS 130 Cb 1.15 0.05 -0.06 0.00 -0.90 0.00 0.00 32.23 32.48 1y8m h LYS 130 CO 0.68 0.91 0.40 0.20 -2.00 0.00 0.00 179.45 179.64 1y8m s GLY 131 N -4.48 -0.07 -0.52 0.07 0.00 -1.26 -5.09 107.32 95.97 1y8m s GLY 131 Ca -0.03 -0.17 -0.28 0.00 0.00 0.00 0.00 44.72 44.24 1y8m s GLY 131 CO 0.82 0.25 1.57 -1.34 0.00 0.00 0.00 173.10 174.40 1y8m s VAL 132 N -3.19 3.65 0.00 1.40 -7.23 -1.26 -4.32 120.40 109.46 1y8m s VAL 132 Ca 0.14 0.56 0.00 0.00 -1.81 0.00 0.00 61.98 60.86 1y8m s VAL 132 Cb -0.03 -4.19 0.00 0.00 0.56 0.00 0.00 36.38 32.72 1y8m s VAL 132 CO 0.05 -0.97 0.00 0.55 -0.31 0.00 0.00 175.10 174.43 1y8m n VAL 133 N 7.04 0.00 0.01 1.32 3.14 -1.26 -4.98 118.33 123.59 1y8m n VAL 133 Ca 0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 1y8m n VAL 133 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 1y8m n VAL 133 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1y8m n VAL 134 N 0.00 0.09 0.44 1.55 0.31 -1.26 -4.67 118.33 114.79 1y8m n VAL 134 Ca 0.00 0.03 -0.17 0.00 -0.01 0.00 0.00 64.34 64.19 1y8m n VAL 134 Cb 0.05 -1.39 -0.08 0.00 -0.91 0.00 0.00 33.84 31.51 1y8m n VAL 134 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y8m h ALA 135 N 0.00 -1.26 -0.91 3.52 0.00 -1.94 -3.27 119.26 115.39 1y8m h ALA 135 Ca 0.00 -0.24 -0.39 0.00 0.00 0.00 0.00 54.91 54.27 1y8m h ALA 135 Cb 0.81 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1y8m h ALA 135 CO 0.00 -1.18 0.98 0.20 0.00 0.00 0.00 179.25 179.25 1y8m s GLY 136 N -1.90 0.44 0.10 0.00 0.00 -1.26 -4.52 107.32 100.17 1y8m s GLY 136 Ca -0.16 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 42.99 1y8m s GLY 136 CO 0.49 3.28 0.00 0.61 0.00 0.00 0.00 173.10 177.48 1y8m n GLY 137 N 6.67 -4.83 0.11 0.20 0.00 -1.26 -4.74 105.19 101.35 1y8m n GLY 137 Ca 0.35 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1y8m n GLY 137 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1y8m h VAL 138 N 2.88 0.97 -0.60 1.61 3.04 -1.79 -3.38 116.25 118.97 1y8m h VAL 138 Ca 0.00 -2.23 0.00 0.00 -1.01 0.00 0.00 66.70 63.46 1y8m h VAL 138 Cb 0.00 2.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 1y8m h VAL 138 CO 0.00 0.42 0.00 1.41 -1.01 0.00 0.00 177.57 178.39 1y8m n HIS 139 N -4.32 -0.98 -1.10 3.17 8.25 -1.26 -4.84 115.22 114.14 1y8m n HIS 139 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1y8m n HIS 139 Cb 0.72 0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.93 1y8m n HIS 139 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1y8m n HIS 140 N -0.45 0.00 -1.42 4.41 1.44 -1.26 -5.15 115.22 112.79 1y8m n HIS 140 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 1y8m n HIS 140 Cb 0.00 0.13 -0.07 0.00 0.12 0.00 0.00 29.99 30.17 1y8m n HIS 140 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1y8m n HIS 141 N 0.00 -3.66 0.17 -1.40 8.25 -1.26 -4.53 115.22 112.78 1y8m n HIS 141 Ca 0.00 2.02 0.05 0.00 -0.26 0.00 0.00 57.72 59.53 1y8m n HIS 141 Cb 0.23 -3.28 0.14 0.00 1.12 0.00 0.00 29.99 28.19 1y8m n HIS 141 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1y8m h HIS 142 N -1.13 0.00 -5.05 4.41 -0.00 -2.05 -3.49 115.15 107.84 1y8m h HIS 142 Ca -0.15 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.22 1y8m h HIS 142 Cb 1.21 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.54 1y8m h HIS 142 CO 0.05 0.39 -1.17 1.58 -0.00 0.00 0.00 177.93 178.78 1y8m n HIS 143 N -3.26 -3.74 -1.78 5.26 -0.00 -1.26 -5.35 115.22 105.09 1y8m n HIS 143 Ca 0.02 2.19 0.00 0.00 0.46 0.00 0.00 57.72 60.39 1y8m n HIS 143 Cb 0.64 -3.36 0.00 0.00 -0.12 0.00 0.00 29.99 27.16 1y8m n HIS 143 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41